The Lennard-Jones melting line and isomorphism

摘要

The location of the melting line (ML) of the Lennard-Jones (LJ) system and its associated physical properties are investigated using molecular dynamics computer simulation. The radial distribution function and the behavior of the repulsive and attractive parts of the potential energy indicate that the ML is not a single isomorph, but the isomorphic state evolves gradually with temperature, i.e., it is only "locally isomorphic." The state point dependence of the unitless isomorphic number, (X) over tilde, for a range of static and dynamical properties of the LJ system in the solid and fluid states, and for fluid argon, are also reported. The quantity (X) over tilde typically varies most with state point in the vicinity of the triple point and approaches a plateau in the high density (temperature) limit along the ML. (C) 2015 AIP Publishing LLC.